Geometry & MOs

Info

ID:	202534
PubChem CID:	79682765
Reduced:	NSO5C10H13 (1)
Stoich.:	ABC5D10E13 (1)
Weight, g/mol:	333.96229
ΔH_f, kcal/mol:	-180.28
Dipole, Da:	5.58
IP(EA), eV:	-9.61(-0.95)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

3-[[5-(5-bromofuran-2-yl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]propane-1,2-diol

Drug info:

PubChemData

Smile

C1=COC(=C1)C(=O)NC(=O)CSCC(CO)O

DOS

IR

Vibrations